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cond-mat.mtrl-sci2020
Learning the electronic density of states in condensed matter
Chiheb Ben Mahmoud, Andrea Anelli, Gábor Csányi +1
The electronic density of states (DOS) quantifies the distribution of the energy levels that can be occupied by electrons in a quasiparticle picture, and is central to modern elect…
cond-mat.mtrl-sci2018
Generalized convex hull construction for materials discovery
Andrea Anelli, Edgar A. Engel, Chris J. Pickard +1
High-throughput computational materials searches generate large databases of locally-stable structures. Conventionally, the needle-in-a-haystack search for the few experimentally-s…